UCSF

ZINC13478595

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 34 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.78 2.17 -68.59 3 9 -1 140 509.004 9
Mid Mid (pH 6-8) 2.30 -1.57 -52.52 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.30 -0.24 -49.87 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.30 -1.37 -50.9 5 9 1 142 511.02 9
Mid Mid (pH 6-8) 2.30 -0.04 -48.13 5 9 1 142 511.02 9
Lo Low (pH 4.5-6) 3.15 4.11 -24.36 4 9 0 134 510.012 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )